The elasticity, bond hardness and thermodynamic properties of X2B (X=Cr, Mn, Fe, Co, Ni, Mo, W) investigated by DFT theory

Physica B: Condensed Matter

Volumn 405, Issue 5, 2010, Pages 1274-1278

  Xiao, B ^a,b   Feng, J ^a   Zhou, C T ^b   Xing, J D ^b   Xie, X J ^b   Cheng, Y H ^b   Zhou, R ^a  

^a BEIJING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

^b XI'AN JIAOTONG UNIVERSITY   (China)

Author keywords

Borides; Debye temperature; Elastic constants; First principles; Heat capacity

Indexed keywords

BULK MODULUS; DFT THEORY; ELECTRON EXCITATIONS; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; HARMONIC APPROXIMATION; HEAT CAPACITIES; HEAT CAPACITY; LOW TEMPERATURES; MECHANICALLY STABLE; SEMI-EMPIRICAL; THERMODYNAMIC PARAMETER;

BORIDES; CHROMIUM; DEBYE TEMPERATURE; ELASTIC CONSTANTS; ELASTIC MODULI; HARDNESS; MANGANESE; MANGANESE COMPOUNDS; THERMODYNAMICS;

SPECIFIC HEAT;

EID: 74849106566     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2009.11.064     Document Type: Article

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